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Compound Detail

CHEMBL3578240

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COc1ccc2c(c1)Cc1c(Nc3cccc(C(=O)O)c3)n[nH]c1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3578240
Phase Preclinical
Structure Type MOL
InChI Key YGYPUMGKGCAVGL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

321.3
MW (Da)
3.43
ALogP
4
HBA
3
HBD
87.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15N3O3
MW 321.34
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
25938266 10.1021/acs.jmedchem.5b00035 HCT-116 1
25938266 10.1021/acs.jmedchem.5b00035 PC-3 1
25938266 10.1021/acs.jmedchem.5b00035 HeLa 1
25938266 10.1021/acs.jmedchem.5b00035 HEK293 1

Data from ChEMBL 36 via Core Engine